4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 4-[[4-(4-pyridyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[(4-pyridin-4-yl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 4-[[4-(4-pyridyl)piperazino]methyl]benzoic acid Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C17H19N3O2/c21-17(22)15-3-1-14(2-4-15)13-19-9-11-20(12-10-19)16-5-7-18-8-6-16/h1-8H,9-13H2,(H,21,22)